Methyl 3-hydroxy-3-phenylpropanoate
TL;DR: Methyl 3-hydroxy-3-phenylpropanoate (CAS 58692-70-9) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-hydroxy-3-phenylpropanoate
Also Known As: Methyl 3-hydroxy-3-phenylpropanoate, 3-hydroxy-3-phenyl-propionic acid methyl ester, Methyl 3-hydroxy-3-phenylpropionate, (R)-Methyl 3-hydroxy-3-phenylpropanoate, Methyl3-hydroxy-3-phenylpropanoate
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 58692-70-9 |
|---|---|
| SMILES | COC(=O)CC(C1=CC=CC=C1)O |
| InChIKey | VZHHCQFCDCJKIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-hydroxy-3-phenylpropanoate (CAS 58692-70-9), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: methyl 3-hydroxy-3-phenylpropanoate.
Chemical Property Profile of Methyl 3-hydroxy-3-phenylpropanoate
Property Insights of Methyl 3-hydroxy-3-phenylpropanoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-hydroxy-3-phenylpropanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 3-hydroxy-3-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-hydroxy-3-phenylpropanoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3-hydroxy-3-phenylpropanoate?
The CAS number of Methyl 3-hydroxy-3-phenylpropanoate is 58692-70-9.
What is the molecular formula of Methyl 3-hydroxy-3-phenylpropanoate?
The molecular formula of Methyl 3-hydroxy-3-phenylpropanoate is C10H12O3.
What is the molecular weight of Methyl 3-hydroxy-3-phenylpropanoate?
The molecular weight of Methyl 3-hydroxy-3-phenylpropanoate is 180.08 g/mol.
Where can I buy Methyl 3-hydroxy-3-phenylpropanoate?
You can request a quote for Methyl 3-hydroxy-3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-hydroxy-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-hydroxy-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.